3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole

C15H23N5O — CID 56780528

IUPAC3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(C(C)C)n2)c1
InChIInChI=1S/C15H23N5O/c1-11(2)15-17-14(18-21-15)10-19-6-4-5-13(19)9-20-8-12(3)7-16-20/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyWXXLEXSJAVPQIU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds5

About 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56780528) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID56780528
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(C(C)C)n2)c1
InChIInChI=1S/C15H23N5O/c1-11(2)15-17-14(18-21-15)10-19-6-4-5-13(19)9-20-8-12(3)7-16-20/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyWXXLEXSJAVPQIU-UHFFFAOYSA-N
XLogP2.36
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16188439
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 53564386
5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
5-Cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53598745
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53599226
3-Cyclopropyl-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53601435
3-(2-Methoxyethyl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53604518
3-(2-Methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53610019
3-Tert-butyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53613097
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53618749
5-Cyclopropyl-3-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53619029
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 53623480

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 56780528) is 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole is Cc1cnn(CC2CCCN2Cc2noc(C(C)C)n2)c1.
What is the InChIKey of 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WXXLEXSJAVPQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)15-17-14(18-21-15)10-19-6-4-5-13(19)9-20-8-12(3)7-16-20/h7-8,11,13H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56780528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).